2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

C12H17N3O4 — CID 43469694

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-3-5-9(11(17)18)14-10(16)8-15-7-4-6-13-12(15)19/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeySLAJLNHVMYKGRY-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.00
Rot. Bonds7

About 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (PubChem CID 43469694) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
PubChem CID43469694
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-3-5-9(11(17)18)14-10(16)8-15-7-4-6-13-12(15)19/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeySLAJLNHVMYKGRY-UHFFFAOYSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminoethyllysine-carbonylmethylene-cytosine
CID 5287874
(2S)-6-amino-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 91610677
(2S)-6-amino-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 139059715
6-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43170021
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172030
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 43355988
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43356432
5-Amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43358661
7-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]heptanoic acid
CID 43358962

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (CID 43469694) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is CCCCC(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is SLAJLNHVMYKGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-3-5-9(11(17)18)14-10(16)8-15-7-4-6-13-12(15)19/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43469694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).